6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine

C5H5F3OS — CID 135276641

IUPAC6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
SMILESFC(F)(F)C1=CSCCO1
InChIInChI=1S/C5H5F3OS/c6-5(7,8)4-3-10-2-1-9-4/h3H,1-2H2
InChIKeyXQBGBSBJSKSFPC-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.15
Rot. Bonds

About 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine

6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine (PubChem CID 135276641) has the molecular formula C5H5F3OS and a molecular weight of 170.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
PubChem CID135276641
Molecular FormulaC5H5F3OS
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Name6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
SMILESFC(F)(F)C1=CSCCO1
InChIInChI=1S/C5H5F3OS/c6-5(7,8)4-3-10-2-1-9-4/h3H,1-2H2
InChIKeyXQBGBSBJSKSFPC-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine (CID 135276641) is 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine is FC(F)(F)C1=CSCCO1.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
The InChIKey is XQBGBSBJSKSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3OS/c6-5(7,8)4-3-10-2-1-9-4/h3H,1-2H2.
What are the key properties of 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine has a molecular weight of 170.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 135276641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).